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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 439.5
BDBM50117414

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50117414
PNG
(1-[2-(4-Benzyl-piperidin-1-ylmethyl)-phenyl]-3-(1H...)
Show SMILES O=C(Nc1ccc2[nH]ncc2c1)Nc1ccccc1CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H29N5O/c33-27(29-24-10-11-26-23(17-24)18-28-31-26)30-25-9-5-4-8-22(25)19-32-14-12-21(13-15-32)16-20-6-2-1-3-7-20/h1-11,17-18,21H,12-16,19H2,(H,28,31)(H2,29,30,33)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 450n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50117414
PNG
(1-[2-(4-Benzyl-piperidin-1-ylmethyl)-phenyl]-3-(1H...)
Show SMILES O=C(Nc1ccc2[nH]ncc2c1)Nc1ccccc1CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H29N5O/c33-27(29-24-10-11-26-23(17-24)18-28-31-26)30-25-9-5-4-8-22(25)19-32-14-12-21(13-15-32)16-20-6-2-1-3-7-20/h1-11,17-18,21H,12-16,19H2,(H,28,31)(H2,29,30,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human Chemokine receptor type 1 expressed in chinese hamster ovary cells


J Med Chem 45: 3794-804 (2002)


BindingDB Entry DOI: 10.7270/Q2MW2GG0
More data for this
Ligand-Target Pair